2-(4-methylphenyl)-3-oxidanyl-8-[(triphenylmethyl)oxymethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-methylphenyl)-3-oxidanyl-8-[(triphenylmethyl)oxymethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-hydroxy-2-(p-tolyl)-8-(trityloxymethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-hydroxy-2-(4-methylphenyl)-8-[(triphenylmethyl)oxymethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-hydroxy-2-(4-methylphenyl)-8-(trityloxymethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-hydroxy-2-(p-tolyl)-8-(trityloxymethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C36H31NO3S MolecularWeight: 557.70124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C36H31NO3S/c1-25-17-20-27(21-18-25)34-33(38)35(39)37-31-22-19-26(23-32(31)41-34)24-40-36(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-23,33-34,38H,24H2,1H3,(H,37,39)